4I9Z
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 5BA A 901 |
| Chain | Residue |
| A | VAL548 |
| A | ALA823 |
| A | PEG904 |
| A | HOH1037 |
| A | TYR612 |
| A | LEU675 |
| A | ALA779 |
| A | VAL782 |
| A | PHE786 |
| A | MET816 |
| A | GLN817 |
| A | PHE820 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN A 902 |
| Chain | Residue |
| A | HIS617 |
| A | HIS653 |
| A | ASP654 |
| A | ASP764 |
| A | HOH1004 |
| A | HOH1138 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 903 |
| Chain | Residue |
| A | ASP654 |
| A | HOH1001 |
| A | HOH1002 |
| A | HOH1015 |
| A | HOH1137 |
| A | HOH1138 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PEG A 904 |
| Chain | Residue |
| A | ARG577 |
| A | GLY819 |
| A | ASP822 |
| A | ALA823 |
| A | 5BA901 |
| A | HOH1025 |
| A | HOH1049 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PEG A 905 |
| Chain | Residue |
| A | SER562 |
| A | PHE564 |
| A | GLU565 |
| A | LEU690 |
| A | ASN694 |
| A | TYR709 |
| A | PRO773 |
| A | ARG777 |
| A | HOH1052 |
Functional Information from PROSITE/UniProt
| site_id | PS00126 |
| Number of Residues | 12 |
| Details | PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHrGvnNsY |
| Chain | Residue | Details |
| A | HIS653-TYR664 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12955149","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T9R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T9S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TBF","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12955149","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
